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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676081

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.7
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.7
FOA2-FUROIC ACIDA,B2GF30.73
FOA2-FUROIC ACIDA,B,D2GAG0.73
FOA2-FUROIC ACIDA,B,C,D2GAH0.73
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.7
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.78
AI73-(heptyloxy)benzoic acidA,B2O3Z0.76
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.73
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.7
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.72
FU2FURFURALA,B,C,D1QXD0.73
8MOMETHOXSALENA,B,C,D1Z110.72
VXXVANILLATEA,B1WB60.71
SYRSYRINGATEA,B1WB50.7
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.8
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.7
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
BZFBENZOFURANA182L0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.72
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE
A3D5X0.72
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE
A1E7U0.72
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78